4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine

C14H30N2O — CID 103340447

IUPAC4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine
SMILESC=CCN(CCOC)C(C)CCCNCCC
InChIInChI=1S/C14H30N2O/c1-5-9-15-10-7-8-14(3)16(11-6-2)12-13-17-4/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyGLMARQLCKKWFOB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.29
Rot. Bonds12

About 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine

4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine (PubChem CID 103340447) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine
PubChem CID103340447
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine
SMILESC=CCN(CCOC)C(C)CCCNCCC
InChIInChI=1S/C14H30N2O/c1-5-9-15-10-7-8-14(3)16(11-6-2)12-13-17-4/h6,14-15H,2,5,7-13H2,1,3-4H3
InChIKeyGLMARQLCKKWFOB-UHFFFAOYSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methanidyl-(1-methoxypropan-2-yl)-prop-2-enylazanium
CID 155624816
N-[2-[2-(prop-2-enylamino)ethoxy]ethyl]propan-1-amine
CID 163853615
1-N,1-N-diethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 43199217
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43756290
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
2-N-(2-methoxyethyl)-2-N-(1-methoxypropan-2-yl)-1-N-prop-2-enylpropane-1,2-diamine
CID 55087909
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-prop-2-enylpropane-1,2-diamine
CID 55087911
(E)-N-[(2S)-1-methoxypropan-2-yl]but-2-en-1-amine
CID 55298679
1-N-(2-methoxyethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 61940080
4-N-ethyl-1-N-(2-methoxyethyl)-1-N-methylpentane-1,4-diamine
CID 61940081
1-N-(2-methoxyethyl)-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 61940082
1-N-(1-methoxypropan-2-yl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 61943071

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine (CID 103340447) is 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine is C=CCN(CCOC)C(C)CCCNCCC.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine?
The InChIKey is GLMARQLCKKWFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-9-15-10-7-8-14(3)16(11-6-2)12-13-17-4/h6,14-15H,2,5,7-13H2,1,3-4H3.
What are the key properties of 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine?
4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.29, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-prop-2-enyl-1-N-propylpentane-1,4-diamine is sourced from PubChem (CID 103340447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).